≥98%(GC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754044 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754044 |
| Canonical Smiles | C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C |
| IUPAC Name | bis(prop-2-enyl) benzene-1,3-dicarboxylate |
| InChIKey | OOORLLSLMPBSPT-UHFFFAOYSA-N |
| INCHI | 1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2 |
| Isomeric SMILES | C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C |
| RTECS | CZ4230000 |
| Molecular Weight | 246.26 |
| Beilstein | 9(4)3295 |
| Reaxy-Rn | 2055011 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055011&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | m-Phthalate esters |
| Alternative Parents | M-phthalic acid and derivatives Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Sensitivity | heat sensitive |
|---|---|
| Refractive Index | 1.53 |
| Flash Point(°F) | 163°C |
| Flash Point(°C) | 163°C |
| Boil Point(°C) | 163°C/8mmHg |
| Molecular Weight | 246.260 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 246.089 Da |
| Monoisotopic Mass | 246.089 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yifu Chen, Siwu Wu, Jianguo Mi, Ming Tian, Mingying Liang, Jialiang Chen, Zhenghai Tang, Wenjie Wu, Baochun Guo, Liqun Zhang. (2023) Spatial Structure Design toward Dielectric Elastomers by Separating Charge Centers in Chain Segments. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.3c01683] |
| 2. Guo Lili, Dai Huilin, Feng Saixiang, Zhao Yongda. (2023) Contribution of GalU to biofilm formation, motility, antibiotic and serum resistance, and pathogenicity of Salmonella Typhimurium. Frontiers in Cellular and Infection Microbiology, [PMID:37021122] [10.3389/fcimb.2023.1149541] |
| 3. Laisen Wang, Miaomiao Liu, Fanrong Sun, Haiyan Liu, Hongyuan Yan, Ligai Bai. (2021) Extraction and determination of tussilagone from Farfarae Flos with online solid-phase extraction–high-performance liquid chromatography using a homemade monolithic cartridge doped with porous organic cage material. JOURNAL OF SEPARATION SCIENCE, 44 (24): (4412-4421). [PMID:34687475] [10.1002/jssc.202100649] |
| 4. Lin Hao, Chenhuan Wang, Xiaoxing Ma, Qiuhua Wu, Chun Wang, Zhi Wang. (2014) Magnetic three-dimensional graphene solid-phase extraction coupled with high performance liquid chromatography for the determination of phthalate esters in fruit juice. Analytical Methods, 6 (15): (5659-5665). [PMID:] [10.1039/C4AY00893F] |
| 5. Yifan Tong, Fei Xue, Xiaogang Lu, Xinyi Liao, Junyi Meng, Linxin Zhong, Hongxiang Zhu. (2025) Bacterial cellulose carbon aerogel with ultra-high stress retention for flexible sensor. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:40675279] [10.1016/j.ijbiomac.2025.145681] |
| 6. Huanhuan Zhang, Fengjun Sun, Wei Feng, Yan Qian. (2025) Polymyxin B combined with amikacin delays the resistance of Klebsiella pneumoniae to polymyxin B by modulating the expression of NlpE. INFECTION GENETICS AND EVOLUTION, [PMID:40480594] [10.1016/j.meegid.2025.105780] |
| 7. Yayuan Zheng, Hao Lv, Huaiming Du, Bo Xing. (2025) Non-thermal crystallization kinetics of ammonium hydrogen phosphate in stirred systems: Metastable zone characterization, moment-based modeling, and size-dependent growth dynamics. Journal of the Taiwan Institute of Chemical Engineers, [PMID:] [10.1016/j.jtice.2025.106545] |
| 8. Cuicui Li, Qiyun Pan. (2026) A phenazine-based organic polymer for long-life sodium storage. Journal of Materials Chemistry A, [PMID:] [10.1039/D5TA08265J] |
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